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Information card for entry 7027778
Preview
| Coordinates | 7027778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ru(OSO2CF3)(CN)(dppe)2 |
|---|---|
| Formula | C54 H48 F3 N O3 P4 Ru S |
| Calculated formula | C54 H48 F3 N O3 P4 Ru S |
| SMILES | [Ru]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F |
| Title of publication | Synthesis of the acidic dihydrogen complexes trans-[M(H2)(CN)L2]+ and trans-[M(H2)(CNH)L2]2+ where M = Fe, Ru, Os and L = dppm, dppe, dppp, depe, and dihydrogen substitution by the trifluoromethanesulfonate anion to give trans-[Ru(OTf )(CN)L2] or trans-[Ru(OTf )(CNH)L2]OTf † |
| Authors of publication | Fong, Tina P.; Forde, Cameron E.; Lough, Alan J.; Morris, Robert H.; Rigo, Pierluigi; Rocchini, Eliana; Stephan, Tim |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 24 |
| Pages of publication | 4475 |
| a | 16.6236 ± 0.0005 Å |
| b | 17.0227 ± 0.0006 Å |
| c | 18.064 ± 0.0008 Å |
| α | 90° |
| β | 91.978 ± 0.005° |
| γ | 90° |
| Cell volume | 5108.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1241 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.1832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179983 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/77. |
7027778.cif |
| 95777 | 2014-01-28 | cif/ Adding structures of 7027778 via cif-deposit CGI script. |
7027778.cif |
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